6-Methyl-2-Phenyl-2,3-Dihydro-1,3,2-Benzothiazaphosphole 2-Sulfide

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Properties Simple | Detailed

Formula C13H12NPS2
IUPAC Name (2r)-6-methyl-2-phenyl-2-sulfido-3h-1,3,2-benzothiazaphosphol-2-ium
Molecular Mass 277.345 g·mol−1
Heat of Formation 2291.7 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 281.16 Å 3
Surface Area 253.62 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
InChIKey SGNNWCGXIXCYNI-OAHLLOKOSA-N
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